- InChI
- InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
- InChI Key
- YHOWYTOWCBNTHB-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
O=C(OCCCCOC(=O)c1ccccc1)c1cccc
c1 - Molecular Weight1
- 298.33
- CAS
- 19224-27-2
- Other Names
-
- 1,4-Butylene glycol dibenzoate
- Benzoic acid, butylene ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8315 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | [2372.00; 2372.00] |
|
|
| Inp | 2372.00 | NIST | |
| Inp | 2372.00 | NIST | |
| Tboil | 647.64 | K | Relay (1.0) Calculated Property |
| Tc | 888.96 | K | Relay (1.0) Calculated Property |
| Tfus | 323.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.40; 735.82] | J/mol×K | [817.18; 1045.05] |
|
| Cp,gas | 669.40 | J/mol×K | 817.18 | Joback Calculated Property |
| Cp,gas | 683.46 | J/mol×K | 855.16 | Joback Calculated Property |
| Cp,gas | 696.27 | J/mol×K | 893.14 | Joback Calculated Property |
| Cp,gas | 707.87 | J/mol×K | 931.12 | Joback Calculated Property |
| Cp,gas | 718.30 | J/mol×K | 969.10 | Joback Calculated Property |
| Cp,gas | 727.60 | J/mol×K | 1007.08 | Joback Calculated Property |
| Cp,gas | 735.82 | J/mol×K | 1045.05 | Joback Calculated Property |
| η | [0.0000726; 0.0007223] | Pa×s | [489.78; 817.18] |
|
| η | 0.0007223 | Pa×s | 489.78 | Joback Calculated Property |
| η | 0.0004065 | Pa×s | 544.35 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 598.91 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 653.48 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 708.05 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 762.61 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 817.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, dibenzoate.
Sources
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